ChemSpider 2D Image | N-{(3S,4S,6R)-6-Formyl-10-hydroxy-7-(2-hydroxy-3-methylbutanoyl)-3,8,8,11-tetramethyl-4-(methylamino)-7-[(2S,3S)-3-methyl-2-(methylamino)pentanoyl]-5,9-dioxo-1-dodecen-6-yl}-2-hydroxy-N,3-dimethylbuta namide | C36H63N3O9

N-{(3S,4S,6R)-6-Formyl-10-hydroxy-7-(2-hydroxy-3-methylbutanoyl)-3,8,8,11-tetramethyl-4-(methylamino)-7-[(2S,3S)-3-methyl-2-(methylamino)pentanoyl]-5,9-dioxo-1-dodecen-6-yl}-2-hydroxy-N,3-dimethylbuta namide

  • Molecular FormulaC36H63N3O9
  • Average mass681.900 Da
  • Monoisotopic mass681.456421 Da
  • ChemSpider ID171001

  • defined stereocentres - 5 of 9 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

N-{(3S,4S,6R)-6-Formyl-10-hydroxy-7-(2-hydroxy-3-methylbutanoyl)-3,8,8,11-tetramethyl-4-(methylamino)-7-[(2S,3S)-3-methyl-2-(methylamino)pentanoyl]-5,9-dioxo-1-dodecen-6-yl}-2-hydroxy-N,3-dimethylbuta namid [German] [ACD/IUPAC Name]
N-{(3S,4S,6R)-6-Formyl-10-hydroxy-7-(2-hydroxy-3-methylbutanoyl)-3,8,8,11-tetramethyl-4-(methylamino)-7-[(2S,3S)-3-methyl-2-(methylamino)pentanoyl]-5,9-dioxo-1-dodecen-6-yl}-2-hydroxy-N,3-dimethylbuta namide [ACD/IUPAC Name]
N-{(3S,4S,6R)-6-Formyl-10-hydroxy-7-(2-hydroxy-3-méthylbutanoyl)-3,8,8,11-tétraméthyl-4-(méthylamino)-7-[(2S,3S)-3-méthyl-2-(méthylamino)pentanoyl]-5,9-dioxo-1-dodécén-6-yl}-2-hydroxy-N,3-diméthylbuta namide [French] [ACD/IUPAC Name]
144446-20-8 [RN]
Cyclo(hiv-Me-leu-hiv-Me-ile-hiv-Me-ile)
Enniatin A, 2-(N-methyl-L-leucine)-
Enniatin F

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS208088 [DBID]
AIDS-208088 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 800.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 132.6±6.0 kJ/mol
Flash Point: 438.0±34.3 °C
Index of Refraction: 1.503
Molar Refractivity: 183.9±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 4
ACD/LogP: 16.57
ACD/LogD (pH 5.5): 7.28
ACD/BCF (pH 5.5): 69769.27
ACD/KOC (pH 5.5): 29405.60
ACD/LogD (pH 7.4): 9.09
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1893374.25
Polar Surface Area: 190 Å2
Polarizability: 72.9±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 622.1±3.0 cm3

Click to predict properties on the Chemicalize site


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